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Compound Detail

CHEMBL355685

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Nc1nc(N)nc(NCCCNCCCCCCCNCCCNc2nc(N)nc(N)n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL355685
Phase Preclinical
Structure Type MOL
InChI Key UBHHLNPIESKREB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
-0.18
ALogP
14
HBA
8
HBD
229.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H38N14
MW 462.61
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.43

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9871546 10.1016/s0960-894x(98)00095-x Unchecked 3
9871546 10.1016/s0960-894x(98)00095-x Trypanosoma brucei brucei 1

Data from ChEMBL 36 via Core Engine